General Information of the Compound
| Compound ID |
CP0452769
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3S)-N1-((5-(benzyloxy)-1-methyl-1H-indol-3-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclopentane-1,3-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H36N4O2
|
||||||||||||||||||
| Molecular Weight |
520.677
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OCc5ccccc5)cc34)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36N4O2/c1-22-15-33(36-31-18-27(38-3)11-13-29(22)31)35-26-10-9-25(16-26)34-19-24-20-37(2)32-14-12-28(17-30(24)32)39-21-23-7-5-4-6-8-23/h4-8,11-15,17-18,20,25-26,34H,9-10,16,19,21H2,1-3H3,(H,35,36)/t25-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUBJBYTZSTWDPM-UIOOFZCWSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound